N3-Cyclohexyl-N7-(3,4-dichlorophenyl)-2-(2,3-dimethylcyclohexyl)-1,2,3,6,7,7a-hexahydro-1-oxo-3a,6-epoxy-3aH-isoindole-3,7-dicarboxamide
Basic information
- CAS
1038777-30-8- Standard SMILES
CC1CCCC(N2C(=O)C3C(C(=O)Nc4ccc(Cl)c(Cl)c4)C4C=CC3(O4)C2C(=O)NC2CCCCC2)C1C- InChIKey
UUSLFEQSIGRODV-UHFFFAOYSA-N- Molecular formula
- C30H37Cl2N3O4
- Average molar mass
- 574.5 g/mol
- Monoisotopic mass
- 573.2161121
Names & identifiers
- Preferred name
- N3-Cyclohexyl-N7-(3,4-dichlorophenyl)-2-(2,3-dimethylcyclohexyl)-1,2,3,6,7,7a-hexahydro-1-oxo-3a,6-epoxy-3aH-isoindole-3,7-dicarboxamide
- IUPAC
- 2-N-cyclohexyl-6-N-(3,4-dichlorophenyl)-3-(2,3-dimethylcyclohexyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide
Names & synonyms
DTXSID801101689AKOS001490260AKOS0216140291038777-30-8N3-Cyclohexyl-N7-(3,4-dichlorophenyl)-2-(2,3-dimethylcyclohexyl)-1,2,3,6,7,7a-hexahydro-1-oxo-3a,6-epoxy-3aH-isoindole-3,7-dicarboxamideSR-01000546046SR-01000546046-1
Database identifiers
- CAS
1038777-30-8- PubChem CID
- 3538352
- DTXSID
DTXSID801101689
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 87.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 1,020
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…